N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C11H21N3OS — CID 134510563

IUPACN-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)NC(=O)N1CC2(CCN(S)CC2)C1
InChIInChI=1S/C11H21N3OS/c1-9(2)12-10(15)13-7-11(8-13)3-5-14(16)6-4-11/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyXYRLWPIXTCCWBV-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.35
Rot. Bonds1

About N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 134510563) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID134510563
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)NC(=O)N1CC2(CCN(S)CC2)C1
InChIInChI=1S/C11H21N3OS/c1-9(2)12-10(15)13-7-11(8-13)3-5-14(16)6-4-11/h9,16H,3-8H2,1-2H3,(H,12,15)
InChIKeyXYRLWPIXTCCWBV-UHFFFAOYSA-N
XLogP1.35
TPSA35.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 130306506
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846
4,4-dimethyl-N-propan-2-ylazepane-1-carboxamide
CID 115660921
(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
CID 169000386
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 134510563) is N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is CC(C)NC(=O)N1CC2(CCN(S)CC2)C1.
What is the InChIKey of N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is XYRLWPIXTCCWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)12-10(15)13-7-11(8-13)3-5-14(16)6-4-11/h9,16H,3-8H2,1-2H3,(H,12,15).
What are the key properties of N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 243.38 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 134510563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).